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Murcko scaffold

RefChem:381505 scaffold

25 chemicals on CompoundList share this ring system.

Rings
5
Scaffold atoms
19
Chemicals
25
With full pages
16
Scaffold SMILES

O=C1C2C3C=CC(CC3)C2C(=O)N1c1ccccc1

A Bemis-Murcko scaffold is what remains of a molecule when every side chain is removed: the rings and the chains that link them. Chemicals that share a scaffold often belong to the same compound series, which helps when you look for analogues, alternative suppliers or related building blocks.

Substructure search with this scaffoldOpen the RefChem:381505 page
Murcko scaffold O=C1C2C3C=CC(CC3)C2C(=O)N1c1ccccc1

Computed from the structures of the chemicals listed here. Stereo and charges are removed before the scaffold is taken.

Chemicals with this scaffold

Open one to see its structure, properties and suppliers.

Showing 1 to 25 of 25 chemicals

RefChem:381505 chemical structure, C16H15NO2, CAS 90130-14-6
RefChem:381505
CAS 90130-14-6C16H15NO2
2-(4-Bromo-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H13BrN2O4, CAS 358731-43-8
2-(4-Bromo-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 358731-43-8C16H13BrN2O4
2-(2-Nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H14N2O4, CAS 321863-23-4
2-(2-Nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 321863-23-4C16H14N2O4
2-(4-Methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C17H16N2O4, CAS 403695-36-3
2-(4-Methyl-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 403695-36-3C17H16N2O4
2-(4-Methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C17H17NO2, CAS 1087759-06-5
2-(4-Methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 1087759-06-5C17H17NO2
2-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H14BrNO2, CAS 433264-75-6
2-(4-Bromophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 433264-75-6C16H14BrNO2
2-(4-Chlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H14ClNO2, CAS 341028-74-8
2-(4-Chlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 341028-74-8C16H14ClNO2
2-[2-Chloro-5-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C17H13ClF3NO2, CAS 353791-21-6
2-[2-Chloro-5-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 353791-21-6C17H13ClF3NO2
2-(3-Bromophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H14BrNO2, CAS 359851-46-0
2-(3-Bromophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 359851-46-0C16H14BrNO2
Methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate chemical structure, C18H17NO4, CAS 354158-70-6
Methyl 3-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoate
CAS 354158-70-6C18H17NO4
4-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid chemical structure, C17H15NO4, CAS 210356-81-3
4-(1,3-Dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid
CAS 210356-81-3C17H15NO4
2-(2-Chloro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H13ClN2O4, CAS 353791-22-7
2-(2-Chloro-5-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 353791-22-7C16H13ClN2O4
4-(3,5-Dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)phenyl acetate chemical structure, C18H17NO4, CAS 340696-82-4
4-(3,5-Dioxo-4-azatricyclo[5.2.2.0~2,6~]undec-8-en-4-yl)phenyl acetate
CAS 340696-82-4C18H17NO4
2-(4-Fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H14FNO2, CAS 354125-20-5
2-(4-Fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 354125-20-5C16H14FNO2
2-(4-Methoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C17H16N2O5, CAS 358731-44-9
2-(4-Methoxy-2-nitrophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 358731-44-9C17H16N2O5
2-Chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid chemical structure, C17H14ClNO4, CAS 354158-91-1
2-Chloro-5-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-ethanoisoindol-2-yl)benzoic acid
CAS 354158-91-1C17H14ClNO4
2-[4-(Propan-2-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C19H21NO2, CAS 471917-61-0
2-[4-(Propan-2-yl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 471917-61-0C19H21NO2
4-(4-Iodophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione chemical structure, C16H14INO2, CAS 354125-16-9
4-(4-Iodophenyl)-4-azatricyclo[5.2.2.0~2,6~]undec-8-ene-3,5-dione
CAS 354125-16-9C16H14INO2
2-(2-Bromo-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C17H16BrNO2, CAS 354125-25-0
2-(2-Bromo-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 354125-25-0C17H16BrNO2
2-(3-Chloro-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C17H16ClNO2, CAS 430432-34-1
2-(3-Chloro-4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 430432-34-1C17H16ClNO2
2-(2,5-Dichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H13Cl2NO2, CAS 471917-90-5
2-(2,5-Dichlorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 471917-90-5C16H13Cl2NO2
2-(3-Iodophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C16H14INO2, CAS 474009-32-0
2-(3-Iodophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 474009-32-0C16H14INO2
4-Isopropyl-7-methyl-2-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C20H23NO2, CAS 444336-79-2
4-Isopropyl-7-methyl-2-phenyl-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 444336-79-2C20H23NO2
4-Isopropyl-7-methyl-2-(p-tolyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione chemical structure, C21H25NO2, CAS 444336-81-6
4-Isopropyl-7-methyl-2-(p-tolyl)-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
CAS 444336-81-6C21H25NO2